N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline

C17H24N4 — CID 43739906

IUPACN-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline
SMILESCC(Nc1cccc(-n2cccn2)c1)C1CCCN(C)C1
InChIInChI=1S/C17H24N4/c1-14(15-6-4-10-20(2)13-15)19-16-7-3-8-17(12-16)21-11-5-9-18-21/h3,5,7-9,11-12,14-15,19H,4,6,10,13H2,1-2H3
InChIKeyJDINGAPGUUWGGP-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.01
Rot. Bonds4

About N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline

N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline (PubChem CID 43739906) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline
PubChem CID43739906
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline
SMILESCC(Nc1cccc(-n2cccn2)c1)C1CCCN(C)C1
InChIInChI=1S/C17H24N4/c1-14(15-6-4-10-20(2)13-15)19-16-7-3-8-17(12-16)21-11-5-9-18-21/h3,5,7-9,11-12,14-15,19H,4,6,10,13H2,1-2H3
InChIKeyJDINGAPGUUWGGP-UHFFFAOYSA-N
XLogP3.01
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline
CID 43740005
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936185
3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43672047
3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 54865598
N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline
CID 43739992
1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine
CID 43739937
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680
2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 64795007
N-[1-(1-methylpiperidin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43307584
N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine
CID 43681268

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline?
The IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline (CID 43739906) is N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline?
The canonical SMILES for N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline is CC(Nc1cccc(-n2cccn2)c1)C1CCCN(C)C1.
What is the InChIKey of N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline?
The InChIKey is JDINGAPGUUWGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14(15-6-4-10-20(2)13-15)19-16-7-3-8-17(12-16)21-11-5-9-18-21/h3,5,7-9,11-12,14-15,19H,4,6,10,13H2,1-2H3.
What are the key properties of N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline?
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline has a molecular weight of 284.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline is sourced from PubChem (CID 43739906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).